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Molybdenum in the structure of Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase From Pelobacter Acidigallici Complexed With Pyrogallol (pdb 1ti4)

The binding sites of Molybdenum atom in the structure of Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase From Pelobacter Acidigallici Complexed With Pyrogallol (pdb code 1ti4). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom.
The 1ti4 structure was solved by A.MESSERSCHMIDT, H.NIESSEN, D.ABT, O.EINSLE, B.SCHINK, P.M.H.KRONECK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)25.0-2.2
Space groupP1
a (A)172.473
b (A)178.140
c (A)179.050
alpha (°)64.11
beta (°)64.45
gamma (°)65.11
Rfactor (%)17.8
Rfree (%)22.4

Molybdenum Binding Sites:

Molybdenum binding site 1 out of 6 in 1ti4


Molybdenum binding site 1 out of 6 in 1ti4
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stereopicture of Molybdenum binding site 1 out of 6 in 1ti4
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 1ti4. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Molybdenum atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: His144, A: Asp174, A: Ser175, A: His738, A: His744, A: Mgd900, A: Mgd902, A: Pyg950,

conact list:


AtomAtomDistance (A)
MoNE2 A:His1444.00
MoCD2 A:His1444.79
MoCE1 A:His1444.97
MoOD2 A:Asp1744.78
MoC A:Asp1744.92
MoOD1 A:Asp1743.93
MoCG A:Asp1744.39
MoN A:Ser1753.97
MoCB A:Ser1753.11
MoOG A:Ser1751.83
MoCA A:Ser1753.65
MoNE2 A:His7384.74
MoND1 A:His7384.91
MoCE1 A:His7383.95
MoNE2 A:His7444.29
MoS13 A:Mgd9002.39
MoC13 A:Mgd9003.65
MoC12 A:Mgd9003.68
MoS12 A:Mgd9002.44
MoS13 A:Mgd9022.46
MoC13 A:Mgd9023.71
MoC12 A:Mgd9023.68
MoS12 A:Mgd9022.43
MoC6 A:Pyg9504.44
MoO2 A:Pyg9504.27
MoC1 A:Pyg9503.45
MoO1 A:Pyg9502.37
MoC2 A:Pyg9504.33

interactive model:


Molybdenum binding site 2 out of 6 in 1ti4


Molybdenum binding site 2 out of 6 in 1ti4
Click to enlarge
stereopicture of Molybdenum binding site 2 out of 6 in 1ti4
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Molybdenum in the PDB 1ti4. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Molybdenum atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: C: His144, C: Asp174, C: Ser175, C: His738, C: His744, C: Mgd900, C: Mgd902, C: Pyg950,

conact list:


AtomAtomDistance (A)
MoNE2 C:His1443.94
MoCD2 C:His1444.66
MoCE1 C:His1444.98
MoOD2 C:Asp1744.80
MoC C:Asp1744.94
MoOD1 C:Asp1743.68
MoCG C:Asp1744.33
MoN C:Ser1753.97
MoCB C:Ser1753.11
MoOG C:Ser1751.83
MoCA C:Ser1753.68
MoNE2 C:His7384.67
MoND1 C:His7384.87
MoCE1 C:His7383.90
MoNE2 C:His7444.33
MoCE1 C:His7444.99
MoS13 C:Mgd9002.42
MoC13 C:Mgd9003.69
MoC12 C:Mgd9003.70
MoS12 C:Mgd9002.45
MoS13 C:Mgd9022.46
MoC13 C:Mgd9023.72
MoC12 C:Mgd9023.69
MoS12 C:Mgd9022.40
MoC6 C:Pyg9504.37
MoO2 C:Pyg9504.38
MoC1 C:Pyg9503.43
MoO1 C:Pyg9502.41
MoC2 C:Pyg9504.37

interactive model:


Molybdenum binding site 3 out of 6 in 1ti4


Molybdenum binding site 3 out of 6 in 1ti4
Click to enlarge
stereopicture of Molybdenum binding site 3 out of 6 in 1ti4
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Molybdenum in the PDB 1ti4. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Molybdenum atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: E: His144, E: Asp174, E: Ser175, E: His738, E: His744, E: Mgd900, E: Mgd902, E: Pyg950,

conact list:


AtomAtomDistance (A)
MoNE2 E:His1443.89
MoCD2 E:His1444.73
MoCE1 E:His1444.83
MoOD2 E:Asp1744.81
MoC E:Asp1744.92
MoOD1 E:Asp1743.74
MoCG E:Asp1744.35
MoN E:Ser1753.94
MoCB E:Ser1753.09
MoOG E:Ser1751.83
MoCA E:Ser1753.63
MoNE2 E:His7384.75
MoND1 E:His7384.95
MoCE1 E:His7383.99
MoNE2 E:His7444.27
MoCE1 E:His7444.96
MoS13 E:Mgd9002.43
MoC13 E:Mgd9003.69
MoC12 E:Mgd9003.70
MoS12 E:Mgd9002.44
MoS13 E:Mgd9022.46
MoC13 E:Mgd9023.71
MoC12 E:Mgd9023.68
MoS12 E:Mgd9022.41
MoC6 E:Pyg9504.40
MoO2 E:Pyg9504.23
MoC1 E:Pyg9503.40
MoO1 E:Pyg9502.28
MoC2 E:Pyg9504.27

interactive model:


Molybdenum binding site 4 out of 6 in 1ti4


Molybdenum binding site 4 out of 6 in 1ti4
Click to enlarge
stereopicture of Molybdenum binding site 4 out of 6 in 1ti4
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Molybdenum in the PDB 1ti4. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Molybdenum atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: G: His144, G: Asp174, G: Ser175, G: His738, G: His744, G: Mgd900, G: Mgd902, G: Pyg950,

conact list:


AtomAtomDistance (A)
MoNE2 G:His1443.88
MoCD2 G:His1444.68
MoCE1 G:His1444.83
MoOD2 G:Asp1744.86
MoC G:Asp1744.94
MoOD1 G:Asp1743.53
MoCG G:Asp1744.32
MoN G:Ser1753.95
MoCB G:Ser1753.09
MoOG G:Ser1751.83
MoCA G:Ser1753.62
MoNE2 G:His7384.63
MoND1 G:His7384.82
MoCE1 G:His7383.85
MoNE2 G:His7444.36
MoS13 G:Mgd9002.40
MoC13 G:Mgd9003.66
MoC12 G:Mgd9003.69
MoS12 G:Mgd9002.45
MoS13 G:Mgd9022.45
MoC13 G:Mgd9023.71
MoC12 G:Mgd9023.68
MoS12 G:Mgd9022.42
MoC6 G:Pyg9504.50
MoO2 G:Pyg9504.37
MoC1 G:Pyg9503.53
MoO1 G:Pyg9502.37
MoC2 G:Pyg9504.40

interactive model:


Molybdenum binding site 5 out of 6 in 1ti4


Molybdenum binding site 5 out of 6 in 1ti4
Click to enlarge
stereopicture of Molybdenum binding site 5 out of 6 in 1ti4
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Molybdenum in the PDB 1ti4. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Molybdenum atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: I: His144, I: Asp174, I: Ser175, I: His738, I: His744, I: Mgd901, I: Mgd902, I: Pyg950,

conact list:


AtomAtomDistance (A)
MoNE2 I:His1443.90
MoCD2 I:His1444.71
MoCE1 I:His1444.86
MoOD2 I:Asp1744.86
MoC I:Asp1744.87
MoOD1 I:Asp1743.54
MoCG I:Asp1744.29
MoN I:Ser1753.91
MoCB I:Ser1753.09
MoOG I:Ser1751.83
MoCA I:Ser1753.60
MoNE2 I:His7384.68
MoND1 I:His7384.86
MoCE1 I:His7383.89
MoNE2 I:His7444.28
MoCE1 I:His7444.91
MoS13 I:Mgd9012.42
MoC13 I:Mgd9013.69
MoC12 I:Mgd9013.72
MoS12 I:Mgd9012.44
MoS13 I:Mgd9022.47
MoC13 I:Mgd9023.72
MoC12 I:Mgd9023.69
MoS12 I:Mgd9022.42
MoC6 I:Pyg9504.44
MoO2 I:Pyg9504.26
MoC1 I:Pyg9503.44
MoO1 I:Pyg9502.33
MoC2 I:Pyg9504.31

interactive model:


Molybdenum binding site 6 out of 6 in 1ti4


Molybdenum binding site 6 out of 6 in 1ti4
Click to enlarge
stereopicture of Molybdenum binding site 6 out of 6 in 1ti4
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Molybdenum in the PDB 1ti4. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Molybdenum atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: K: His144, K: Asp174, K: Ser175, K: His738, K: His744, K: Mgd900, K: Mgd902, K: Pyg950,

conact list:


AtomAtomDistance (A)
MoNE2 K:His1443.88
MoCD2 K:His1444.65
MoCE1 K:His1444.86
MoOD2 K:Asp1744.70
MoC K:Asp1744.89
MoOD1 K:Asp1743.71
MoCG K:Asp1744.28
MoN K:Ser1753.93
MoCB K:Ser1753.10
MoOG K:Ser1751.83
MoCA K:Ser1753.66
MoNE2 K:His7384.69
MoND1 K:His7384.87
MoCE1 K:His7383.92
MoNE2 K:His7444.29
MoCE1 K:His7444.96
MoS13 K:Mgd9002.44
MoC13 K:Mgd9003.72
MoC12 K:Mgd9003.74
MoS12 K:Mgd9002.45
MoS13 K:Mgd9022.47
MoC13 K:Mgd9023.72
MoC12 K:Mgd9023.68
MoS12 K:Mgd9022.40
MoC6 K:Pyg9504.46
MoO2 K:Pyg9504.40
MoC1 K:Pyg9503.51
MoO1 K:Pyg9502.43
MoC2 K:Pyg9504.42

interactive model:




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